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1,7-Dimethyluric Acid-d3

CAT: 0572-TRC-D479697-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D479697-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1189713-08-3
Hazard Statement
No Data Available
Smiles
[2H]C([2H])([2H])N1C(=O)NC2=C(N(C)C(=O)N2)C1=O
Molecular Formula
C7H5D3N4O3
Molecular Weight
199.18
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1,7-Dimethyluric Acid-d3
CAS Number1189713-08-3
PubChem CID46781384
IUPAC Name7-methyl-1-(trideuteriomethyl)-3,9-dihydropurine-2,6,8-trione
Molecular FormulaC7H8N4O3
Molecular Weight199.18
XLogP-0.2
Topological Polar Surface Area81.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity386
SMILES
[2H]C([2H])([2H])N1C(=O)C2=C(NC(=O)N2C)NC1=O
InChI
InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)9-7(14)11(2)5(3)12/h1-2H3,(H,8,13)(H,9,14)/i2D3
InChIKey
NOFNCLGCUJJPKU-BMSJAHLVSA-N
Chemical Structure
2D Structure
2D structure of 1,7-Dimethyluric Acid-d3
CAS: 1189713-08-3
CID: 46781384
Formula: C7H8N4O3
MW: 199.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight199.18
XLogP3-0.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass199.07847037
Monoisotopic Mass199.07847037
Topological Polar Surface Area81.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity386
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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